Benzenesulfonothioic acid, sodium salt

Base Information

• Chemical Name: Benzenesulfonothioic acid, sodium salt
• CAS No.: 1887-29-2
• Deprecated CAS: 2376448-12-1
• Molecular Formula: C6H6 O2 S2 . Na
• Molecular Weight: 196.226
• Hs Code.: 2930909090
• European Community (EC) Number: 217-558-8
• DSSTox Substance ID: DTXSID2062038
• Nikkaji Number: J440.314B,J62.913H
• Mol file: 1887-29-2.mol

Synonyms:benzenethiosulfonate;benzenethiosulfonic acid

Chemical Property of Benzenesulfonothioic acid, sodium salt

Chemical Property:

• Vapor Pressure: 4.72E-05mmHg at 25°C
• Melting Point: 275 °C (dec.)(lit.)
• Boiling Point: 335.4°Cat760mmHg
• Flash Point: 156.7°C
• PSA: 80.60000
• Density: g/cm³
• LogP: 2.43850
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.96286603
• Heavy Atom Count: 11
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzenethionosulfonic acid sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=S)[O-].[Na+]
• Uses: Benzenethionosulfonic Acid Sodium Salt is used in many reactions to prepare thiol compounds.

Technology Process of Benzenesulfonothioic acid, sodium salt

There total 2 articles about Benzenesulfonothioic acid, sodium salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

sodium benzenesulfonate (873-55-2) → sodium phenylthiosulfonate (1887-29-2)

Guidance literature:

With sulfur; N-butylamine; at 20 ℃; for 1h; Other amines. In a titanium autoclave.;

DOI:10.1055/s-1980-29137

Reference yield: 88.0%

sodium phenylsulfonate (515-42-4) + sulfur (7704-34-9) → sodium phenylthiosulfonate (1887-29-2)

Guidance literature:

In pyridine; for 1h;

Reference yield: 97.0%

sodium phenylthiosulfonate (1887-29-2) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → benzenethiosulfonic acid S-(2-bromobenzyl) ester (880647-85-8)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 64h;

DOI:10.1002/anie.200501882

upstream raw materials:

sodium benzenesulfonate

sodium phenylsulfonate

sulfur

Downstream raw materials:

1,4-bis(benzenesulfonylthio)butane

1,5-bis(benzenesulfonylthio)pentane

1.6-Bis-benzolsulfonylthio-hexan

benzenethiosulfonic acid S-benzyl ester

Refernces

• 1、 Amelichev, Stanislav A.,Konstantinova, Lidia S.,Obruchnikova, Natalia V.,Rakitin, Oleg A.,Rees, Charles W.. "Synthesis of 1,4-dithiins from pentathiepins". . p. 4529 - 4532. Retrieved 2006.
• 2、 Fischmann, Adam J.,Spiccia, Leone. "Sodium thiosulfonate salts: Molecular and supramolecular structural features and solution radiolytic properties". . p. 12310 - 12319. Retrieved 2011.
• 3、 Chen, Wenbo,Lu, Long,Shen, Qilong,Yao, Ruichao,Zhao, Qunchao. "Scalable Synthesis of S-Fluoromethyl Benzenesulfonothioate". . p. 1090 - 1094. Retrieved 2020/07/15.
• 4、 Rao, Changqing,Mai, Shaoyu,Song, Qiuling. "Rh(ii)/phosphine-cocatalyzed synthesis of dithioketal derivatives from diazo compounds through simultaneous construction of two different C-S bonds". supporting information. p. 5964 - 5967. Retrieved 2018/06/18.